Atomistic Simulation of Aging and Rejuvenation in Glasses

Utz, Marcel; Debenedetti, Pablo G.; Stillinger, Frank H.

doi:10.1103/physrevlett.84.1471

Cited by 186 publications

(186 citation statements)

References 20 publications

Supporting

Mentioning

170

Contrasting

Order By: Relevance

“…As the cooling rate decreases, the yield stress and strain increase because fewer and smaller particle rearrangements occur. However, at large strains, beyond the yield strain, σ(γ), as well as U (γ), become independent of cooling rate [2,32]. Previous studies have shown that the number of energy minima grows exponentially with the average potential energy [28,39].…”

Section: Resultsmentioning

confidence: 99%

“…The cooling rate determines the fictive temperature, which defines the average energy of the glass in the potential energy landscape [27,28]. The fictive temperature significantly affects mechanical properties, such as ductility [14,29,30], shear band formation [31], and stress versus strain [2,32]. Prior work has characterized the disappearance of minima in the energy landscape and resulting particle rearrangements versus applied strain [26,33,34].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Effects of cooling rate on particle rearrangement statistics: Rapidly cooled glasses are more ductile and less reversible

et al. 2017

View full text Add to dashboard Cite

Amorphous solids, such as metallic, polymeric, and colloidal glasses, display complex spatiotemporal response to applied deformations. In contrast to crystalline solids, during loading, amorphous solids exhibit a smooth crossover from elastic response to plastic flow. In this study, we investigate the mechanical response of binary Lennard-Jones glasses to athermal, quasistatic pure shear as a function of the cooling rate used to prepare them. We find several key results concerning the connection between strain-induced particle rearrangements and mechanical response. We show that the energy loss per strain dU loss /dγ caused by particle rearrangements for more rapidly cooled glasses is larger than that for slowly cooled glasses. We also find that the cumulative energy loss U loss can be used to predict the ductility of glasses even in the putative linear regime of stress versus strain. U loss increases (and the ratio of shear to bulk moduli decreases) with increasing cooling rate, indicating enhanced ductility. In addition, we characterized the degree of reversibility of particle motion during a single shear cycle. We find that irreversible particle motion occurs even in the linear regime of stress versus strain. However, slowly cooled glasses, which undergo smaller rearrangements, are more reversible during a single shear cycle than rapidly cooled glasses. Thus, we show that more ductile glasses are also less reversible.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Effects of cooling rate on particle rearrangement statistics: Rapidly cooled glasses are more ductile and less reversible

et al. 2017

View full text Add to dashboard Cite

show abstract

“…First, the free volume has been notoriously difficult to define experimentally. Also, this model does not seem compatible with the observed aging in glassy solids under constant volume conditions [13], and cannot predict the aging behavior under complex thermo-mechanical histories. Modern energy landscape theories describe the aging process as a series of hops between progressively deeper traps in configuration space [14,15].…”

Section: Introductionmentioning

confidence: 85%

“…For instance, calculations of particle correlation functions have shown explicitly that the characteristic time scale for particle relaxations increases with wait time [19]. Recent work [13,20] has focused on the effect of aging on the mechanical properties; results showed that the shear yield stress (defined as the overshoot or maximum of the stress-strain curve) in deformation at constant strain rate generally increases logarithmically with t w . Based on a large number of simulations at different strain rates and temperatures, a phenomenological rate-state model was developed that describes the combined effect of rate and age on the shear yield stress for many temperatures below the glass transition [21].…”

Section: Introductionmentioning

confidence: 99%

Simulations of aging and plastic deformation in polymer glasses

Warren

Rottler

2007

Phys. Rev. E

View full text Add to dashboard Cite

We study the effect of physical aging on the mechanical properties of a model polymer glass using molecular dynamics simulations. The creep compliance is determined simultaneously with the structural relaxation under a constant uniaxial load below yield at constant temperature. The model successfully captures universal features found experimentally in polymer glasses, including signatures of mechanical rejuvenation. We analyze microscopic relaxation timescales and show that they exhibit the same aging characteristics as the macroscopic creep compliance. In addition, our model indicates that the entire distribution of relaxation times scales identically with age. Despite large changes in mobility, we observe comparatively little structural change except for a weak logarithmic increase in the degree of short-range order that may be correlated to an observed decrease in aging with increasing load.

show abstract

“…This transformation is irreversible since once the stress is removed, the system remains in its "aged" state. On the contrary, large stresses move the system far from its initial state, which eventually leads to rejuvenation [27,28]. Although previous accelerated aging techniques have sometimes been shown to yield results that do not match spontaneous aging [26], we ensured that the present protocol predicts a realistic relaxation by checking that, upon relaxation, a hyperquenched glass evolves toward the inherent configurations of the more slowly cooled supercooled liquids [1].…”

mentioning

confidence: 98%